6-methoxy-2-N,2-N-dimethyl-4-N-(oxan-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine

C23H35N5O3 — CID 164704339

IUPAC6-methoxy-2-N,2-N-dimethyl-4-N-(oxan-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine
SMILESCOc1cc2c(NC3CCCOC3)nc(N(C)C)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C23H35N5O3/c1-27(2)23-25-19-15-21(31-13-7-11-28-9-4-5-10-28)20(29-3)14-18(19)22(26-23)24-17-8-6-12-30-16-17/h14-15,17H,4-13,16H2,1-3H3,(H,24,25,26)
InChIKeyJMXHEBXATAYYIJ-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.16
Rot. Bonds9

About 6-methoxy-2-N,2-N-dimethyl-4-N-(oxan-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine

6-methoxy-2-N,2-N-dimethyl-4-N-(oxan-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine (PubChem CID 164704339) has the molecular formula C23H35N5O3 and a molecular weight of 429.57 g/mol. Its IUPAC name is 6-methoxy-2-N,2-N-dimethyl-4-N-(oxan-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-2-N,2-N-dimethyl-4-N-(oxan-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine
PubChem CID164704339
Molecular FormulaC23H35N5O3
Molecular Weight429.57 g/mol
Exact Mass429.27
IUPAC Name6-methoxy-2-N,2-N-dimethyl-4-N-(oxan-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine
SMILESCOc1cc2c(NC3CCCOC3)nc(N(C)C)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C23H35N5O3/c1-27(2)23-25-19-15-21(31-13-7-11-28-9-4-5-10-28)20(29-3)14-18(19)22(26-23)24-17-8-6-12-30-16-17/h14-15,17H,4-13,16H2,1-3H3,(H,24,25,26)
InChIKeyJMXHEBXATAYYIJ-UHFFFAOYSA-N
XLogP3.16
TPSA71.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

formic acid;8-methoxy-N-[(3S)-oxolan-3-yl]-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135155651
[8-methoxy-4-[[(3R)-oxolan-3-yl]amino]-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-1-yl] formate
CID 135155596
6-methoxy-2-(oxan-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 72714730
6-methoxy-2-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 72714452
6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 163861205
6-methoxy-4-[(1-methylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2-carbonitrile
CID 177378118
6-methoxy-2-morpholin-2-yl-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 175431027
5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline
CID 135155249
8-methoxy-N-(3-methylcyclopentyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 162054234
N-(1,1-dioxothian-4-yl)-6-methoxy-2-(4-methylpiperazin-1-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 163809675
2-cyclohexyl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;hydrate
CID 71312000
4-N-(1,1-dioxothian-4-yl)-6-methoxy-2-N-(methoxymethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine
CID 163772375

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N,2-N-dimethyl-4-N-(oxan-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine?
The IUPAC name of 6-methoxy-2-N,2-N-dimethyl-4-N-(oxan-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine (CID 164704339) is 6-methoxy-2-N,2-N-dimethyl-4-N-(oxan-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine.
What is the SMILES notation for 6-methoxy-2-N,2-N-dimethyl-4-N-(oxan-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine?
The canonical SMILES for 6-methoxy-2-N,2-N-dimethyl-4-N-(oxan-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine is COc1cc2c(NC3CCCOC3)nc(N(C)C)nc2cc1OCCCN1CCCC1.
What is the InChIKey of 6-methoxy-2-N,2-N-dimethyl-4-N-(oxan-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine?
The InChIKey is JMXHEBXATAYYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O3/c1-27(2)23-25-19-15-21(31-13-7-11-28-9-4-5-10-28)20(29-3)14-18(19)22(26-23)24-17-8-6-12-30-16-17/h14-15,17H,4-13,16H2,1-3H3,(H,24,25,26).
What are the key properties of 6-methoxy-2-N,2-N-dimethyl-4-N-(oxan-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine?
6-methoxy-2-N,2-N-dimethyl-4-N-(oxan-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine has a molecular weight of 429.57 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N,2-N-dimethyl-4-N-(oxan-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine is sourced from PubChem (CID 164704339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).